2-(1,3-thiazol-2-yl)naphthalen-1-ol

C13H9NOS — CID 136952886

IUPAC2-(1,3-thiazol-2-yl)naphthalen-1-ol
SMILESOc1c(-c2nccs2)ccc2ccccc12
InChIInChI=1S/C13H9NOS/c15-12-10-4-2-1-3-9(10)5-6-11(12)13-14-7-8-16-13/h1-8,15H
InChIKeyHYXSMGQYEJIWGA-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.67
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)naphthalen-1-ol

2-(1,3-thiazol-2-yl)naphthalen-1-ol (PubChem CID 136952886) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)naphthalen-1-ol
PubChem CID136952886
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-(1,3-thiazol-2-yl)naphthalen-1-ol
SMILESOc1c(-c2nccs2)ccc2ccccc12
InChIInChI=1S/C13H9NOS/c15-12-10-4-2-1-3-9(10)5-6-11(12)13-14-7-8-16-13/h1-8,15H
InChIKeyHYXSMGQYEJIWGA-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)naphthalen-1-ol?
The IUPAC name of 2-(1,3-thiazol-2-yl)naphthalen-1-ol (CID 136952886) is 2-(1,3-thiazol-2-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)naphthalen-1-ol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)naphthalen-1-ol is Oc1c(-c2nccs2)ccc2ccccc12.
What is the InChIKey of 2-(1,3-thiazol-2-yl)naphthalen-1-ol?
The InChIKey is HYXSMGQYEJIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-12-10-4-2-1-3-9(10)5-6-11(12)13-14-7-8-16-13/h1-8,15H.
What are the key properties of 2-(1,3-thiazol-2-yl)naphthalen-1-ol?
2-(1,3-thiazol-2-yl)naphthalen-1-ol has a molecular weight of 227.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)naphthalen-1-ol is sourced from PubChem (CID 136952886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).